2-ethyl-5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-4-methyl-1,3-oxazole

• ChemBase ID: 558439
• Molecular Formular: C13H20N2O3
• Molecular Mass: 252.3095
• Monoisotopic Mass: 252.14739251
• SMILES: c1(C(=O)N2[C@@H](COC)CCC2)c(nc(o1)CC)C
• Canonical SMILES: COC[C@H]1CCCN1C(=O)c1oc(nc1C)CC
• InChI: InChI=1S/C13H20N2O3/c1-4-11-14-9(2)12(18-11)13(16)15-7-5-6-10(15)8-17-3/h10H,4-8H2,1-3H3/t10-/m1/s1
• InChIKey: WRDDXDNAXRBFEE-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-4-methyl-1,3-oxazole
• IUPAC Traditional name: 2-ethyl-5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-4-methyl-1,3-oxazole
• Synonyms: 2-ethyl-5-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-4-methyl-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.50668985
• LogD (pH = 7.4): 0.5066905
• Log P: 0.5066905
• Molar Refractivity: 67.4305 cm^3
• Polarizability: 25.58876 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.95
• LOG S: -1.54
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4